CID 70849

1149-23-1

Structural Information

Molecular Formula
C13H19NO4
SMILES
CCOC(=O)C1=C(NC(=C(C1)C(=O)OCC)C)C
InChI
InChI=1S/C13H19NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h14H,5-7H2,1-4H3
InChIKey
LJXTYJXBORAIHX-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

2518
Patents

253.13141 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 157.3
[M+Na]+ 276.120628 164.4
[M-H]- 252.124134 158.3
[M+NH4]+ 271.165233 172.9
[M+K]+ 292.094568 162.7
[M+H-H2O]+ 236.128670 150.7
[M+HCOO]- 298.129611 175.6
[M+CH3COO]- 312.145261 194.2
[M+Na-2H]- 274.106076 157.6
[M]+ 253.13086142 160.1
[M]- 253.13195858 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe